1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine

C17H23NO — CID 105140541

IUPAC1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1cccc(C)c1C
InChIInChI=1S/C17H23NO/c1-4-18-17(11-10-15-8-6-12-19-15)16-9-5-7-13(2)14(16)3/h5-9,12,17-18H,4,10-11H2,1-3H3
InChIKeyLAGTZRXCWWCVCT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine

1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (PubChem CID 105140541) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
PubChem CID105140541
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1cccc(C)c1C
InChIInChI=1S/C17H23NO/c1-4-18-17(11-10-15-8-6-12-19-15)16-9-5-7-13(2)14(16)3/h5-9,12,17-18H,4,10-11H2,1-3H3
InChIKeyLAGTZRXCWWCVCT-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
CID 103136933
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (CID 105140541) is 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is CCNC(CCc1ccco1)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The InChIKey is LAGTZRXCWWCVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18-17(11-10-15-8-6-12-19-15)16-9-5-7-13(2)14(16)3/h5-9,12,17-18H,4,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105140541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).